N,N-dimethyl-2-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]aniline

C15H22N4S — CID 56795371

IUPACN,N-dimethyl-2-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]aniline
SMILESCC(C)c1nnc(SCc2ccccc2N(C)C)n1C
InChIInChI=1S/C15H22N4S/c1-11(2)14-16-17-15(19(14)5)20-10-12-8-6-7-9-13(12)18(3)4/h6-9,11H,10H2,1-5H3
InChIKeyRJPCVLAQIWXZGX-UHFFFAOYSA-N
MW290.44 g/mol
LogP3.30
Rot. Bonds5

About N,N-dimethyl-2-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]aniline

N,N-dimethyl-2-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]aniline (PubChem CID 56795371) has the molecular formula C15H22N4S and a molecular weight of 290.44 g/mol. Its IUPAC name is N,N-dimethyl-2-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]aniline.

Molecular Properties

Compound NameN,N-dimethyl-2-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]aniline
PubChem CID56795371
Molecular FormulaC15H22N4S
Molecular Weight290.44 g/mol
Exact Mass290.16
IUPAC NameN,N-dimethyl-2-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]aniline
SMILESCC(C)c1nnc(SCc2ccccc2N(C)C)n1C
InChIInChI=1S/C15H22N4S/c1-11(2)14-16-17-15(19(14)5)20-10-12-8-6-7-9-13(12)18(3)4/h6-9,11H,10H2,1-5H3
InChIKeyRJPCVLAQIWXZGX-UHFFFAOYSA-N
XLogP3.30
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.44
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N,N-dimethyl-2-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,2-bis[5-[(2-chlorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]ethane-1,2-diol
CID 2974870
N,N-dimethyl-2-[(1-phenylimidazol-2-yl)sulfanylmethyl]aniline
CID 10828707
3-(naphthalen-1-ylmethylsulfanyl)-5-propan-2-yl-1,2,4-triazol-4-amine
CID 7746504
3-(naphthalen-1-ylmethylsulfanyl)-5-propan-2-yl-4-propyl-1,2,4-triazole
CID 17298621
3-[(2-chlorophenyl)methylsulfanyl]-4,5-di(propan-2-yl)-1,2,4-triazole
CID 19717350
2-[[2-(dimethylamino)phenyl]methylsulfanyl]-3-methyl-5,6,7,8-tetrahydroquinazolin-4-one
CID 10359232
3-[[3-fluoro-4-(2-fluorophenoxy)phenyl]methylsulfanyl]-4-methyl-5-propan-2-yl-1,2,4-triazole
CID 86975060
N,N-dimethyl-2-[[1-(6-methyl-2-pyridinyl)imidazol-2-yl]sulfanylmethyl]aniline
CID 10663763
2-[(1,5-diphenylimidazol-2-yl)sulfanylmethyl]-N,N-dimethylaniline
CID 10500324
2-[[1-(4,6-dimethyl-2-pyridinyl)imidazol-2-yl]sulfanylmethyl]-N,N-dimethylaniline
CID 10521004
3-[(2-fluorophenyl)methylsulfanyl]-4,5-dimethyl-1,2,4-triazole
CID 2412117
4-methyl-3-(naphthalen-1-ylmethylsulfanyl)-5-[(4-propan-2-ylphenoxy)methyl]-1,2,4-triazole
CID 19632308

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]aniline?
The IUPAC name of N,N-dimethyl-2-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]aniline (CID 56795371) is N,N-dimethyl-2-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]aniline.
What is the SMILES notation for N,N-dimethyl-2-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]aniline?
The canonical SMILES for N,N-dimethyl-2-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]aniline is CC(C)c1nnc(SCc2ccccc2N(C)C)n1C.
What is the InChIKey of N,N-dimethyl-2-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]aniline?
The InChIKey is RJPCVLAQIWXZGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4S/c1-11(2)14-16-17-15(19(14)5)20-10-12-8-6-7-9-13(12)18(3)4/h6-9,11H,10H2,1-5H3.
What are the key properties of N,N-dimethyl-2-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]aniline?
N,N-dimethyl-2-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]aniline has a molecular weight of 290.44 g/mol, XLogP of 3.30, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]aniline is sourced from PubChem (CID 56795371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).